CID 3905526

2-chloro-n-(2,5-dichlorophenyl)propanamide

Structural Information

Molecular Formula
C9H8Cl3NO
SMILES
CC(C(=O)NC1=C(C=CC(=C1)Cl)Cl)Cl
InChI
InChI=1S/C9H8Cl3NO/c1-5(10)9(14)13-8-4-6(11)2-3-7(8)12/h2-5H,1H3,(H,13,14)
InChIKey
COULVMXYHFANBM-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,5-dichlorophenyl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.96715 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.97443 147.9
[M+Na]+ 273.95637 157.2
[M-H]- 249.95987 150.2
[M+NH4]+ 269.00097 166.4
[M+K]+ 289.93031 151.6
[M+H-H2O]+ 233.96441 145.0
[M+HCOO]- 295.96535 156.9
[M+CH3COO]- 309.98100 194.4
[M+Na-2H]- 271.94182 150.3
[M]+ 250.96660 150.6
[M]- 250.96770 150.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.